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	hartrees
Energy at 0K	-194.218258
Energy at 298.15K	-194.225550
HF Energy	-193.435623
Nuclear repulsion energy	164.266185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3120	6.70
2	A₁	3229	3066	6.61
3	A₁	3073	2918	31.25
4	A₁	1540	1463	0.01
5	A₁	1499	1424	4.87
6	A₁	1292	1226	0.55
7	A₁	1130	1073	3.75
8	A₁	1059	1005	0.04
9	A₁	937	889	2.87
10	A₁	823	782	0.19
11	A₂	3095	2938	0.00
12	A₂	1241	1179	0.00
13	A₂	1007	956	0.00
14	A₂	665	632	0.00
15	A₂	86	82	0.00
16	B₁	3114	2957	29.12
17	B₁	1157	1099	4.83
18	B₁	1026	975	4.24
19	B₁	822	780	6.53
20	B₁	641	608	61.63
21	B₁	445	422	6.79
22	B₂	3274	3109	3.35
23	B₂	3062	2907	26.96
24	B₂	1477	1402	1.54
25	B₂	1401	1330	7.02
26	B₂	1320	1253	0.30
27	B₂	1295	1230	5.81
28	B₂	1067	1013	0.32
29	B₂	916	870	19.72
30	B₂	725	688	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.258
C2	0.000	1.137	0.504
C3	0.000	-1.137	0.504
C4	0.000	0.770	-0.960
C5	0.000	-0.770	-0.960
H6	0.000	0.000	2.340
H7	0.000	2.190	0.731
H8	0.000	-2.190	0.731
H9	0.874	1.181	-1.470
H10	-0.874	1.181	-1.470
H11	0.874	-1.181	-1.470
H12	-0.874	-1.181	-1.470

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3649	1.3649	2.3480	2.3480	1.0814	2.2528	2.2528	3.0984	3.0984	3.0984	3.0984
C2	1.3649		2.2749	1.5094	2.4043	2.1595	1.0771	3.3355	2.1588	2.1588	3.1677	3.1677
C3	1.3649	2.2749		2.4043	1.5094	2.1595	3.3355	1.0771	3.1677	3.1677	2.1588	2.1588
C4	2.3480	1.5094	2.4043		1.5395	3.3882	2.2088	3.4092	1.0920	1.0920	2.1975	2.1975
C5	2.3480	2.4043	1.5094	1.5395		3.3882	3.4092	2.2088	2.1975	2.1975	1.0920	1.0920
H6	1.0814	2.1595	2.1595	3.3882	3.3882		2.7173	2.7173	4.0827	4.0827	4.0827	4.0827
H7	2.2528	1.0771	3.3355	2.2088	3.4092	2.7173		4.3806	2.5742	2.5742	4.1199	4.1199
H8	2.2528	3.3355	1.0771	3.4092	2.2088	2.7173	4.3806		4.1199	4.1199	2.5742	2.5742
H9	3.0984	2.1588	3.1677	1.0920	2.1975	4.0827	2.5742	4.1199		1.7475	2.3621	2.9383
H10	3.0984	2.1588	3.1677	1.0920	2.1975	4.0827	2.5742	4.1199	1.7475		2.9383	2.3621
H11	3.0984	3.1677	2.1588	2.1975	1.0920	4.0827	4.1199	2.5742	2.3621	2.9383		1.7475
H12	3.0984	3.1677	2.1588	2.1975	1.0920	4.0827	4.1199	2.5742	2.9383	2.3621	1.7475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.450	C1	C2	H7	134.261
C1	C3	C5	109.450	C1	C3	H8	134.261
C2	C1	C3	112.899	C2	C1	H6	123.551
C2	C4	C5	104.100	C2	C4	H9	111.153
C2	C4	H10	111.153	C3	C1	H6	123.551
C3	C5	C4	104.100	C3	C5	H11	111.153
C3	C5	H12	111.153	C4	C2	H7	116.288
C4	C5	H11	112.129	C4	C5	H12	112.129
C5	C3	H8	116.288	C5	C4	H9	112.129
C5	C4	H10	112.129	H9	C4	H10	106.296
H11	C5	H12	106.296

All results from a given calculation for C₅H₇ (cyclopentenyl radical)

using model chemistry: MP2/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H7 (cyclopentenyl radical)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₇ (cyclopentenyl radical)